6-chloranyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C17H18ClN4O3S2+ MolecularWeight: 425.93282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H17ClN4O3S2/c18-12-3-4-14-13(10-12)17(23)20-15(19-14)11-21-5-7-22(8-6-21)27(24,25)16-2-1-9-26-16/h1-4,9-10H,5-8,11H2,(H,19,20,23)/p+1